SCHEMBL20820140

SCHEMBL20820140

CCCCCCn1cnc2c(N)nc(N)nc21

nearest known ligand 0.68

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CDK1 P06493 3/20 0.68
CCNB1 P14635 3/20 0.68
CCNE1 P24864 3/20 0.68
CDK2 P24941 3/20 0.68
ADORA2A P29274 4/20 0.58
ALDH1A1 P00352 2/20 0.52
ADORA1 P30542 3/20 0.50
SLC29A1 Q99808 1/20 0.50
ADORA2B P29275 1/20 0.50
TLR9 Q9NR96 2/20 0.49
TLR7 Q9NYK1 2/20 0.49
TDP1 Q9NUW8 1/20 0.49
KMT2A Q03164 1/20 0.49
TMIGD3 P0DMS9 2/20 0.47
CYP2C19 P33261 1/20 0.47
CTSL P07711 1/20 0.45

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL3922885 0.94 CDK1 (0.71) CDK1CCNB1CCNE1CDK2ADORA2A
SCHEMBL1377647 0.88 CDK1 (0.76) CDK1CCNB1CCNE1CDK2ADORA2A
SCHEMBL22348820 0.86 CCNE1 (0.52) CDK1CCNB1CCNE1CDK2ADORA2A
SCHEMBL3441038 0.86 CDK1 (0.57) CDK1CCNB1CCNE1CDK2ADORA2A
SCHEMBL26218657 0.85 ADORA2A (0.58) CDK1CCNB1CCNE1CDK2ADORA2A
SCHEMBL3441032 0.84 CDK1 (0.59) CDK1CCNB1CCNE1CDK2ADORA2A
SCHEMBL4845463 0.84 CDK1 (0.53) CDK1CCNB1CCNE1CDK2ADORA2A
SCHEMBL4848376 0.84 CDK1 (0.50) CDK1CCNB1CCNE1CDK2ADORA2A
SCHEMBL4849504 0.84 TLR9 (0.51) CDK1CCNB1CCNE1CDK2ADORA2A
SCHEMBL4847394 0.84 HSP90AB1 (0.53) CDK1CCNB1CCNE1CDK2ADORA2A

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10231986-B2 Amino acid phosphoramidate pronucleotides of 2′-cyano, azido and amino nucleosides for the treatment of HCV IDENIX PHARMACEUTICALS LLC (US) 2019-03-19 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-10231986-B2 Amino acid phosphoramidate pronucleotides of 2′-cyano, azido and amino nucleosides for the treatment of HCV PNP, RNGTT, NSUN2 CDK1 476/4885CCNB1 704/4885CCNE1 920/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.